检索结果-南通市图书馆

Surface geometry and magnetism of Eu@C60 monolayer on Ag（111）

Science china(physics,Mechanics & Astronomy) 2012年第9期Mechanics & Astronomy) .卷 1589-1593页

作者： zhao zhiwei 1,2,wang jing 1,2 & liu ying 1,2*2*1 department of physics,hebei normal university,and hebei advanced thin film laboratory,shijiazhuang 050016,china 2 National Key laboratory for Materials Simulation and Design,Beijing 100083,china

The surface geometry,electronic structure,and magnetism of Eu@C 60 monolayer absorbed on Ag(111) have been investigated within the framework of density functional *** Eu@C 60 monolayer has been constructed on Ag(111) substrate by one of the hexagon faces of C 60 downward and its mirror plane face parallel to Ag(111).The Eu@C 60 monolayer induces a reconstruction of the Ag(111) substrate and the perpendicular distance between the Eu@C 60 and Ag(111) surface is 2.06,being shorter than that between C 60 and Ag(111) surface by *** is no chemical bond formed between the Eu@C 60 and Ag(111),and only 0.55e transferred from Ag(111) to Eu@C 60.A large magnetic moment about 6.80 B per unit cell is found for Eu@C 60 /Ag(111) system.

关键词： endohedral fullerene two-dimensional C 60 domain magnetic organic molecule

来源：

同方期刊数据库评论

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Surface geometry and magnetism of Eu@C_(60) monolayer on Ag(111)

引用

Science china(physics,Mechanics & Astronomy) 2012年第9期55卷 1589-1593页

作者： zhao zhiwei wang jing liu ying department of physics Hebei Normal Universityand Hebei Advanced Thin Film LaboratoryShijiazhuang 050016China National Key laboratory for Materials Simulation and Design Beijing 100083China

The surface geometry, electronic structure, and magnetism of Eu@C60 monolayer absorbed on Ag(111) have been investigated within the framework of density functional theory. The Eu@C60 monolayer has been constructed on Ag(111) substrate by one of the hexagon faces of C60 downward and its mirror plane face parallel to Ag(111). The Eu@C60 monolayer induces a recon- struction of the Ag(111) substrate and the perpendicular distance between the Eu@C60 and Ag(111) surface is 2.06 A, being shorter than that between C60 and Ag(lll) surface by 0.05A. There is no chemical bond formed between the Eu@C60 and Ag(111), and only 0.55e transferred from Ag(111) to Eu@C60. A large magnetic moment about 6.80/μB per unit cell is found for Eu@C60/Ag(111) system.

关键词： endohedral fullerene two-dimensional C60 domain magnetic organic molecule

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

AA-stacked borophene–graphene bilayer as an anode material for alkali-metal ion batteries with a superhigh capacity

引用

Chinese physics B 2022年第11期31卷 431-437页

作者： Yi-Bo Liang zhao liu jing wang ying liu department of physics and hebei advanced thin film laboratory Hebei Normal UniversityShijiazhuang 050024China National Key laboratory for Materials Simulation and Design Beijing 10083China

As the lightest two-dimensional material,monolayer borophene exhibits great potential as electrode materials,but it suffers from stability issues in the free-standing ***,the striped-borophene and graphene bilayer(sB/Gr)is found to be a high-performance anode material for rechargeable alkali-metal ion *** first-principles results show that all the three alkali-metal atoms,Li,Na,and K,can be strongly adsorbed on sB/Gr with ultra-low diffusion barriers than that on pristine borophene/graphene,indicating good charge-discharge ***,high storage capacities are proposed for LIBs(1880 mA·h/g),NIBs(1648 mA·h/g),and KIBs(470 m A·h/g)with relatively small lattice change rate(2.9%)in the process of alkali-metal atoms *** intriguing features of sB/Gr make it an excellent choice for batteries.

关键词： alkali-metal ion batteries borophene-graphene bilayer adsorption property diffusion behavior

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：